5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide

C16H18FNO4S — CID 53288956

IUPAC5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H18FNO4S/c1-11(2)22-14-7-5-4-6-13(14)18-23(19,20)16-10-12(17)8-9-15(16)21-3/h4-11,18H,1-3H3
InChIKeyUQOSPOVWVIKZSD-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.42
Rot. Bonds6

About 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (PubChem CID 53288956) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
PubChem CID53288956
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H18FNO4S/c1-11(2)22-14-7-5-4-6-13(14)18-23(19,20)16-10-12(17)8-9-15(16)21-3/h4-11,18H,1-3H3
InChIKeyUQOSPOVWVIKZSD-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-(2,3-dichlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 1256564
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157396
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (CID 53288956) is 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is UQOSPOVWVIKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-11(2)22-14-7-5-4-6-13(14)18-23(19,20)16-10-12(17)8-9-15(16)21-3/h4-11,18H,1-3H3.
What are the key properties of 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 53288956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).